4-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-2-carboxylic acid

Systemtic Name: 4-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-2-carboxylic acid Openeye Name: 4-(4-amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-2-carboxylic acid CAS Name: 4-(4-amino-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl)-2-piperidinecarboxylic acid IUPAC Name: 4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)piperidine-2-carboxylic acid Traditional Name: 4-(4-amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)pipecolinic acid Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC1N2C=C(C3=C2N=CN=C3N)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CNC(CC1N2C=C(C3=C2N=CN=C3N)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C18H19N5O2/c19-16-15-13(11-4-2-1-3-5-11)9-23(17(15)22-10-21-16)12-6-7-20-14(8-12)18(24)25/h1-5,9-10,12,14,20H,6-8H2,(H,24,25)(H2,19,21,22)